| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:37:59 UTC |
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| Update Date | 2025-03-21 18:47:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00152538 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C9H14N4O4 |
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| Molecular Mass | 242.1015 |
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| SMILES | CC(O)C(O)C1CNc2c(nc(N)[nH]c2=O)O1 |
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| InChI Key | LYPJYWKFYIIVOE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssecondary alkylarylaminesvinylogous esters |
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| Substituents | etherlactampyrimidonealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholazacyclevinylogous esterheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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